1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone

C12H10BrFN2O — CID 115580335

IUPAC1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H10BrFN2O/c1-16-5-4-15-12(16)7-11(17)9-6-8(14)2-3-10(9)13/h2-6H,7H2,1H3
InChIKeyWSUMEQQDUNVHDZ-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.75
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone

1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115580335) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115580335
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H10BrFN2O/c1-16-5-4-15-12(16)7-11(17)9-6-8(14)2-3-10(9)13/h2-6H,7H2,1H3
InChIKeyWSUMEQQDUNVHDZ-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
5-fluoro-2-[(1-methylimidazol-2-yl)methoxy]benzoic acid
CID 71741821
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784385
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone (CID 115580335) is 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is WSUMEQQDUNVHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-16-5-4-15-12(16)7-11(17)9-6-8(14)2-3-10(9)13/h2-6H,7H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 297.13 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115580335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).